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Sugi Predict / Compounds / SCHEMBL5502701

SCHEMBL5502701

SCHEMBL5502701

CC(C)(C)OC(=O)NCC1CN(c2ccc3c(c2)CC(=O)N3CCF)C(=O)O1.O=C(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.47
▸ MAOB P27338 4/20 0.46
▸ MAOA P21397 4/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ CALML3 P27482 1/20 0.46
▸ SDHA P31040 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5110336 0.98 MAOB (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL5110332 0.98 MAOB (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL5510695 0.93 F10 (0.46) F10MAOBMAOALMNAPTGS1
SCHEMBL5122473 0.90 MAOB (0.46) F10MAOBMAOALMNAPTGS1
SCHEMBL5122475 0.90 MAOB (0.46) F10MAOBMAOALMNAPTGS1
SCHEMBL5999980 0.89 MAOA (0.48) F10MAOBMAOALMNAPTGS1
SCHEMBL5107726 0.89 MAOB (0.48) F10MAOBMAOALMNAPTGS1
SCHEMBL5999976 0.89 MAOA (0.48) F10MAOBMAOALMNAPTGS1
SCHEMBL5107723 0.89 MAOB (0.48) F10MAOBMAOALMNAPTGS1
SCHEMBL5120610 0.86 F10 (0.51) F10MAOBMAOALMNAPTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781643-A1 OXINDOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-05-09 — — EP disclosed
WO-2006016220-A1 OXINDOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-16 — — WO disclosed